L414-1542 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[2-(furan-2-yl)ethyl]propanamide

L414-1542 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[2-(furan-2-yl)ethyl]propanamide
L414-1542 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[2-(furan-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-1542
2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[2-(furan-2-yl)ethyl]propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L414-1542

Molecular Formula

C20H20ClN3O3S (C20 H20 ClN3 O3 S)

Compound Name

2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[2-(furan-2-yl)ethyl]propanamide

IUPAC name

2-{[1-(3-chloro-4-methylphenyl)-6-oxo-16-dihydropyridazin-3-yl]sulfanyl}-N-[2-(furan-2-yl)ethyl]propanamide

SMILES

CC(C(NCCc1ccco1)=O)SC(C=C1)=NN(c2cc(Cl)c(C)cc2)C1=O

InChI

InChI=1S/C20H20ClN3O3S/c1-13-5-6-15(12-17(13)21)24-19(25)8-7-18(23-24)28-14(2)20(26)22-10-9-16-4-3-11-27-16/h3-8,11-12,14H,9-10H2,1-2H3,(H,22,26)/t14-/m0/s1

InChI Key

XCKPSNFVTDVSTM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15126632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.36

Polar Surface Area

59.823

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

L414-1542 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L414-1542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-1542?
Check Price and Availability of L414-1542, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L414-1542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-1542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-1542
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L414-1542 available by request